Ethyl cyclopropanecarboximidate

Base Information

• Chemical Name: Ethyl cyclopropanecarboximidate
• CAS No.: 52186-76-2
• Molecular Formula: C6H11NO
• Molecular Weight: 113.159
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID80561225
• Wikidata: Q72460590
• Mol file: 52186-76-2.mol

Synonyms:ethyl cyclopropanecarboximidate;52186-76-2;Ethyl cyclopropanecarbimidate;CYCLOPROPANECARBOXIMIDIC ACID ETHYL ESTER;SCHEMBL2395928;DTXSID80561225;HIZBBMJRKKKMKY-UHFFFAOYSA-N;AKOS005174046

Chemical Property of Ethyl cyclopropanecarboximidate

Chemical Property:

• Vapor Pressure: 19.3mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 119.2 °C at 760 mmHg
• PKA: 8.07±0.20(Predicted)
• Flash Point: 25.9 °C
• PSA: 33.08000
• Density: 1.1 g/cm³
• LogP: 1.50990
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 96.7

Purity/Quality:

98%Min ^*data from raw suppliers

ethylcyclopropanecarboximidoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=N)C1CC1

Technology Process of Ethyl cyclopropanecarboximidate

There total 3 articles about Ethyl cyclopropanecarboximidate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 69.0%

2-cyclopropylbenzonitrile (3154-99-2) + acetyl chloride (75-36-5) → ethyl cyclopropanecarbimidate (52186-76-2)

Guidance literature:

In ethanol; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1039/d0cc02728f

Reference yield:

ethanol (64-17-5) + cyclopropropanecarbonitrile (5500-21-0) → ethyl cyclopropanecarbimidate (52186-76-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 25 ℃; for 3h; Inert atmosphere;

Reference yield:

→ ethyl cyclopropanecarbimidate (52186-76-2)

Guidance literature:

Cyclopropylamid, Ethanol;

upstream raw materials:

ethanol

cyclopropropanecarbonitrile

2-cyclopropylbenzonitrile

acetyl chloride

Refernces

• 1、 -. "PYRIDINE DERIVATIVE AS ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF". Paragraph 0115-0117. . Retrieved 2019/12/05.